3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

C10H10F3N5 — CID 167926933

IUPAC3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)c1nc(-c2n[nH]c3c2CCCC3)n[nH]1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-14-8(17-18-9)7-5-3-1-2-4-6(5)15-16-7/h1-4H2,(H,15,16)(H,14,17,18)
InChIKeyGKEVOBVDHRLDQX-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.09
Rot. Bonds1

About 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 167926933) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID167926933
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)c1nc(-c2n[nH]c3c2CCCC3)n[nH]1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-14-8(17-18-9)7-5-3-1-2-4-6(5)15-16-7/h1-4H2,(H,15,16)(H,14,17,18)
InChIKeyGKEVOBVDHRLDQX-UHFFFAOYSA-N
XLogP2.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 16384039
3-[2-(1-butyl-1H-1,2,4-triazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole
CID 131940049
3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 138034571
3-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 131890958
5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 154874018
5-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 167811336
5-Tert-butyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraene
CID 172691869
N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-2-(1H-1,2,4-triazol-1-yl)ethanamine trifluoroacetate
CID 28374019
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 50954227
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 50961008
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 50962522
3-[3-methyl-1-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 72864272

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 167926933) is 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is FC(F)(F)c1nc(-c2n[nH]c3c2CCCC3)n[nH]1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is GKEVOBVDHRLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)9-14-8(17-18-9)7-5-3-1-2-4-6(5)15-16-7/h1-4H2,(H,15,16)(H,14,17,18).
What are the key properties of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 257.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 167926933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).